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Chlorine in PDB 4oae: Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol

Protein crystallography data

The structure of Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol, PDB code: 4oae was solved by K.A.Majorek, M.Chruszcz, A.Joachimiak, W.Minor, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.96 / 1.25
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.880, 75.626, 39.482, 90.00, 90.00, 90.00
R / Rfree (%) 12 / 15.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol (pdb code 4oae). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol, PDB code: 4oae:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4oae

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Chlorine binding site 1 out of 4 in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:24.4
occ:0.70
CL1 A:CLM207 0.0 24.4 0.7
C1 A:CLM207 1.8 16.0 0.7
C2 A:CLM207 2.7 15.9 0.7
CL2 A:CLM207 2.9 21.9 0.7
O2 A:CLM207 3.2 15.8 0.7
O A:HOH425 3.3 42.7 1.0
N2 A:CLM207 3.5 12.1 0.7
CD2 A:TYR28 3.7 16.5 1.0
CG A:GLU25 3.7 16.7 1.0
CE2 A:TYR28 3.8 21.0 1.0
OE2 A:GLU25 4.0 19.0 1.0
O A:HOH437 4.0 39.2 1.0
CD A:GLU25 4.2 16.8 1.0
O A:HOH341 4.4 25.2 1.0
C7 A:CLM207 4.5 11.7 0.7
OD1 A:ASN121 4.5 13.8 1.0
CB A:GLU25 4.6 14.0 1.0
CA A:GLU25 4.6 12.7 1.0
C8 A:CLM207 4.7 13.6 0.7
C6 A:CLM207 4.7 12.9 0.7
C3 A:CLM207 4.8 11.5 0.7
NH1 A:ARG88 4.8 18.4 1.0
CG A:TYR28 5.0 15.1 1.0

Chlorine binding site 2 out of 4 in 4oae

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Chlorine binding site 2 out of 4 in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:21.9
occ:0.70
CL2 A:CLM207 0.0 21.9 0.7
C1 A:CLM207 1.8 16.0 0.7
C2 A:CLM207 2.7 15.9 0.7
CL1 A:CLM207 2.9 24.4 0.7
O2 A:CLM207 3.0 15.8 0.7
O A:HOH316 3.3 18.5 1.0
O A:HOH341 3.5 25.2 1.0
O A:HOH437 3.6 39.2 1.0
O A:HOH469 3.7 34.8 1.0
CB A:ALA123 3.8 14.4 1.0
N2 A:CLM207 3.8 12.1 0.7
O A:HOH425 4.0 42.7 1.0
O A:HOH461 4.4 55.1 1.0
OD1 A:ASN121 4.6 13.8 1.0

Chlorine binding site 3 out of 4 in 4oae

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Chlorine binding site 3 out of 4 in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:25.7
occ:0.80
CL1 A:CLM208 0.0 25.7 0.8
C1 A:CLM208 1.8 23.6 0.8
C2 A:CLM208 2.7 22.6 0.8
CL2 A:CLM208 2.9 38.6 0.8
O2 A:CLM208 3.0 25.9 0.8
N2 A:CLM208 3.8 22.3 0.8
C8 A:CLM208 4.1 29.0 0.8
C7 A:CLM208 4.1 25.0 0.8
C9 A:CLM208 4.7 26.5 0.8
C6 A:CLM208 4.8 21.7 0.8
C3 A:CLM208 5.0 24.7 0.8

Chlorine binding site 4 out of 4 in 4oae

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Chlorine binding site 4 out of 4 in the Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:38.6
occ:0.80
CL2 A:CLM208 0.0 38.6 0.8
C1 A:CLM208 1.8 23.6 0.8
C2 A:CLM208 2.7 22.6 0.8
CL1 A:CLM208 2.9 25.7 0.8
O2 A:CLM208 3.2 25.9 0.8
N2 A:CLM208 3.6 22.3 0.8
C3 A:CLM208 4.9 24.7 0.8

Reference:

K.A.Majorek, M.Chruszcz, A.Joachimiak, W.Minor. Crystal Structure of A Gnat Superfamily Acetyltransferase PA4794 C29A/C117A/Y128A Mutant in Complex with Chloramphenicol To Be Published.
Page generated: Fri Jul 11 19:55:50 2025

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